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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195729

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1195729
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 7
  • Element list: ['Mn', 'B', 'P', 'H', 'N', 'Cl', 'O']
  • Chemical System: B-Cl-H-Mn-N-O-P
  • Density: 2.2693087448022924
  • Atomic Density: 0.09696149680162448
  • Unit Cell Volume: 1320.1116342281496
  • Molar Volume: 6.210857875184024
  • Full Formula: Mn4 B8 P12 H40 N8 Cl4 O52
  • Reduced Formula: MnB2P3H10N2ClO13
  • Formula Anonymous: ABC2D2E3F10G13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -862.82426312
  • Final energy per atom: -6.740814555625
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.